N2-benzyl-N4-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine

N2-benzyl-N4-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine

Formula: C18H18N6O2

SMILES: CC1=CC=C(NC2=NC(NCC3=CC=CC=C3)=NC(N)=C2[N+]([O-])=O)C=C1

IUPAC: N2-benzyl-N4-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine

InChI: InChI=1S/C18H18N6O2/c1-12-7-9-14(10-8-12)21-17-15(24(25)26)16(19)22-18(23-17)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H4,19,20,21,22,23)

Composition: C (61.70%), H (5.18%), N (23.99%), O (9.13%)

Molar Mass: 350.382

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	350.149123844
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	VBDSOQUPPFXDCQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	102.65
Topological Polar Surface Area	119
Polarizability	36.62
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18N6O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00